Geometry & MOs

Info

ID:	79757
PubChem CID:	49830272
Reduced:	ClON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	271.05124
ΔH_f, kcal/mol:	16.92
Dipole, Da:	1.93
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=CC(=N2)Cl)C3=CNC4=C3C=CC=N4)O

DOS

IR

Vibrations